CID 16772900

1-[(3-methylphenyl)carbamoyl]piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CC1=CC(=CC=C1)NC(=O)N2CCCC(C2)C(=O)O
InChI
InChI=1S/C14H18N2O3/c1-10-4-2-6-12(8-10)15-14(19)16-7-3-5-11(9-16)13(17)18/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,15,19)(H,17,18)
InChIKey
MKHLPFHXPDCNNR-UHFFFAOYSA-N
Compound name
1-[(3-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 160.4
[M+Na]+ 285.12096 164.4
[M-H]- 261.12446 163.7
[M+NH4]+ 280.16556 174.2
[M+K]+ 301.09490 161.7
[M+H-H2O]+ 245.12900 152.3
[M+HCOO]- 307.12994 177.7
[M+CH3COO]- 321.14559 195.5
[M+Na-2H]- 283.10641 161.7
[M]+ 262.13119 155.4
[M]- 262.13229 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.